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@ARTICLE{Ballone:61566,
      author       = {Ballone, P. and Montanari, B. and Jones, G. J.},
      title        = {{D}ensity functional study of carbonic acid clusters},
      journal      = {The journal of chemical physics},
      volume       = {112},
      issn         = {0021-9606},
      address      = {Melville, NY},
      publisher    = {American Institute of Physics},
      reportid     = {PreJuSER-61566},
      pages        = {6571 - 6575},
      year         = {2000},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {Density functional calculations on carbonic acid H2CO3 are
                      extended to clusters of up to five such units. The most
                      stable forms are the linear, hydrogen-bonded analogs of the
                      dimer with anti-anti orientation. We calculate structures
                      and vibration frequencies, as well as the energy required to
                      bend and stretch the linear isomers. Linear chains of up to
                      similar to 20 units should be favored over ring structures,
                      and they have a tensile strength reminiscent of chains of
                      water molecules. We also discuss planar, nonlinear
                      structures as well as three-dimensional isomers. (C) 2000
                      American Institute of Physics. [S0021-9606(00)30615-8].},
      keywords     = {J (WoSType)},
      cin          = {IFF},
      ddc          = {540},
      cid          = {I:(DE-Juel1)VDB241},
      pnm          = {Elektronische Struktur von Festkörpern, Oberflächen und
                      Schichtsystemen},
      pid          = {G:(DE-Juel1)FUEK52},
      shelfmark    = {Physics, Atomic, Molecular $\&$ Chemical},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000086297000009},
      url          = {https://juser.fz-juelich.de/record/61566},
}